CRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C7 | sing | 1.34Å | 1.25Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C7 | O8 | doub | 1.21Å | 1.26Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | N1 | sing | 1.46Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| N1 | C2 | sing | 1.37Å | 1.34Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C4 | H43 | sing | 1.09Å | 1.11Å | |
| C2 | N6 | doub | 1.30Å | 1.26Å | |
| C2 | N3 | sing | 1.37Å | 1.34Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | O9 | HO9 | 122.2° | 120.1° |
| O9 | C7 | O8 | 122.1° | 119.9° |
| O9 | C7 | C5 | 118.8° | 120.1° |
| O8 | C7 | C5 | 119.0° | 120.0° |
| C7 | C5 | N1 | 113.9° | 109.5° |
| C7 | C5 | H51 | 110.6° | 109.5° |
| C7 | C5 | H52 | 110.5° | 109.5° |
| N1 | C5 | H51 | 110.6° | 109.5° |
| N1 | C5 | H52 | 110.6° | 109.5° |
| C5 | N1 | C4 | 115.7° | 120.0° |
| C5 | N1 | C2 | 122.6° | 120.0° |
| H51 | C5 | H52 | 99.8° | 109.5° |
| C4 | N1 | C2 | 121.7° | 120.0° |
| N1 | C4 | H41 | 115.7° | 109.5° |
| N1 | C4 | H42 | 109.9° | 109.5° |
| N1 | C4 | H43 | 109.9° | 109.5° |
| N1 | C2 | N6 | 120.4° | 120.0° |
| N1 | C2 | N3 | 121.3° | 120.0° |
| H41 | C4 | H42 | 109.9° | 109.4° |
| H41 | C4 | H43 | 110.0° | 109.5° |
| H42 | C4 | H43 | 100.3° | 109.5° |
| N6 | C2 | N3 | 118.3° | 120.0° |
| C2 | N6 | HN6 | 51.5° | 120.0° |
| C2 | N3 | HN31 | 121.3° | 120.1° |
| C2 | N3 | HN32 | 108.0° | 120.0° |
| HN31 | N3 | HN32 | 107.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C7 | O8 | C5 | 178.8° | 179.8° |
| O9 | C7 | C5 | N1 | 54.9° | 180.0° |
| O9 | C7 | C5 | H51 | 70.3° | 59.9° |
| O9 | C7 | C5 | H52 | 179.8° | 60.1° |
| HO9 | O9 | C7 | O8 | 179.9° | 0.1° |
| HO9 | O9 | C7 | C5 | 1.2° | 180.0° |
| O8 | C7 | C5 | N1 | 123.9° | 0.1° |
| O8 | C7 | C5 | H51 | 110.9° | 119.9° |
| O8 | C7 | C5 | H52 | 1.4° | 120.1° |
| C7 | C5 | N1 | H51 | 125.2° | 120.0° |
| C7 | C5 | N1 | H52 | 125.2° | 120.0° |
| C7 | C5 | H51 | H52 | 116.4° | 120.0° |
| C7 | C5 | N1 | C4 | 142.8° | 90.0° |
| C7 | C5 | N1 | C2 | 38.0° | 90.0° |
| N1 | C5 | H51 | H52 | 116.5° | 120.0° |
| C5 | N1 | C4 | C2 | 179.2° | 180.0° |
| C5 | N1 | C4 | H41 | 179.9° | 0.0° |
| C5 | N1 | C4 | H42 | 54.8° | 119.9° |
| C5 | N1 | C4 | H43 | 54.7° | 120.0° |
| C5 | N1 | C2 | N6 | 178.2° | 0.0° |
| C5 | N1 | C2 | N3 | 1.5° | 180.0° |
| H51 | C5 | N1 | C4 | 17.6° | 150.0° |
| H51 | C5 | N1 | C2 | 163.2° | 30.0° |
| H52 | C5 | N1 | C4 | 91.9° | 30.0° |
| H52 | C5 | N1 | C2 | 87.2° | 150.0° |
| N1 | C4 | H41 | H42 | 125.2° | 120.0° |
| N1 | C4 | H41 | H43 | 125.3° | 120.0° |
| N1 | C4 | H42 | H43 | 115.8° | 120.1° |
| C4 | N1 | C2 | N6 | 0.9° | 180.0° |
| C4 | N1 | C2 | N3 | 179.4° | 0.0° |
| C2 | N1 | C4 | H41 | 0.9° | 180.0° |
| C2 | N1 | C4 | H42 | 126.1° | 60.0° |
| C2 | N1 | C4 | H43 | 124.4° | 60.0° |
| N1 | C2 | N6 | N3 | 179.7° | 180.0° |
| N1 | C2 | N6 | HN6 | 43.2° | 179.9° |
| N1 | C2 | N3 | HN31 | 179.9° | 180.0° |
| N1 | C2 | N3 | HN32 | 54.8° | 0.0° |
| H41 | C4 | H42 | H43 | 115.8° | 119.9° |
| N6 | C2 | N3 | HN31 | 0.3° | 0.0° |
| N6 | C2 | N3 | HN32 | 125.5° | 179.9° |
| N3 | C2 | N6 | HN6 | 136.5° | 0.1° |
| C2 | N3 | HN31 | HN32 | 125.2° | 180.0° |
